2-[1-carboxypropyl(hydroxy)amino]butanoic acid

C8H15NO5 — CID 15861258

IUPAC2-[1-carboxypropyl(hydroxy)amino]butanoic acid
SMILESCCC(C(=O)O)N(O)C(CC)C(=O)O
InChIInChI=1S/C8H15NO5/c1-3-5(7(10)11)9(14)6(4-2)8(12)13/h5-6,14H,3-4H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyWWFYKGNWAARJDL-UHFFFAOYSA-N
MW205.21 g/mol
LogP0.40
Rot. Bonds6

About 2-[1-carboxypropyl(hydroxy)amino]butanoic acid

2-[1-carboxypropyl(hydroxy)amino]butanoic acid (PubChem CID 15861258) has the molecular formula C8H15NO5 and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-[1-carboxypropyl(hydroxy)amino]butanoic acid.

Molecular Properties

Compound Name2-[1-carboxypropyl(hydroxy)amino]butanoic acid
PubChem CID15861258
Molecular FormulaC8H15NO5
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC Name2-[1-carboxypropyl(hydroxy)amino]butanoic acid
SMILESCCC(C(=O)O)N(O)C(CC)C(=O)O
InChIInChI=1S/C8H15NO5/c1-3-5(7(10)11)9(14)6(4-2)8(12)13/h5-6,14H,3-4H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyWWFYKGNWAARJDL-UHFFFAOYSA-N
XLogP0.40
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-carboxypropyl(hydroxy)amino]butanoic acid?
The IUPAC name of 2-[1-carboxypropyl(hydroxy)amino]butanoic acid (CID 15861258) is 2-[1-carboxypropyl(hydroxy)amino]butanoic acid.
What is the SMILES notation for 2-[1-carboxypropyl(hydroxy)amino]butanoic acid?
The canonical SMILES for 2-[1-carboxypropyl(hydroxy)amino]butanoic acid is CCC(C(=O)O)N(O)C(CC)C(=O)O.
What is the InChIKey of 2-[1-carboxypropyl(hydroxy)amino]butanoic acid?
The InChIKey is WWFYKGNWAARJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO5/c1-3-5(7(10)11)9(14)6(4-2)8(12)13/h5-6,14H,3-4H2,1-2H3,(H,10,11)(H,12,13).
What are the key properties of 2-[1-carboxypropyl(hydroxy)amino]butanoic acid?
2-[1-carboxypropyl(hydroxy)amino]butanoic acid has a molecular weight of 205.21 g/mol, XLogP of 0.40, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-carboxypropyl(hydroxy)amino]butanoic acid is sourced from PubChem (CID 15861258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).